CID 1910889

Benzoic acid, 2-[4-(dipentylamino)-2-hydroxybenzoyl]-

Structural Information

Molecular Formula
C24H31NO4
SMILES
CCCCCN(CCCCC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C24H31NO4/c1-3-5-9-15-25(16-10-6-4-2)18-13-14-21(22(26)17-18)23(27)19-11-7-8-12-20(19)24(28)29/h7-8,11-14,17,26H,3-6,9-10,15-16H2,1-2H3,(H,28,29)
InChIKey
FHHJEXZQGLHKOT-UHFFFAOYSA-N
Compound name
2-[4-(dipentylamino)-2-hydroxybenzoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

397.2253 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.232576 199.9
[M+Na]+ 420.214518 202.7
[M-H]- 396.218024 204.1
[M+NH4]+ 415.259123 209.6
[M+K]+ 436.188458 198.8
[M+H-H2O]+ 380.222560 190.7
[M+HCOO]- 442.223501 218.4
[M+CH3COO]- 456.239151 227.1
[M+Na-2H]- 418.199966 196.9
[M]+ 397.22475142 203.4
[M]- 397.22584858 203.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe